Basic information
- Standard SMILES
CNC(=O)c1cc(Oc2ccc3nc(NCC4CCCCC4)sc3c2)ccn1- InChIKey
XHFLVUIKGGSEHZ-UHFFFAOYSA-N- Molecular formula
- C21H24N4O2S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.16199719
Names & identifiers
- Preferred name
- 4-[2-(Cyclohexylmethyl-amino)-benzothiazol-6-yloxy]-pyridine-2-carboxylic acid methylamide
- IUPAC
- 4-[[2-(cyclohexylmethylamino)-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
Names & synonyms
SCHEMBL2676259XHFLVUIKGGSEHZ-UHFFFAOYSA-N4-[2-(Cyclohexylmethyl-amino)-benzothiazol-6-yloxy]-pyridine-2-carboxylic acid methylamide
Database identifiers
- PubChem CID
- 57725483
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Related reactions
4 records
Compound notes
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